N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,5,7-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(3,5,7-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,5,7-trimethyl-2-quinolyl)thio]acetamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C(=C1)C)C)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C(=C1)C)C)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H31N3O3S2/c1-18-14-19(2)23-16-20(3)26(28-24(23)15-18)33-17-25(30)27-21-8-10-22(11-9-21)34(31,32)29-12-6-4-5-7-13-29/h8-11,14-16H,4-7,12-13,17H2,1-3H3,(H,27,30)